USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= 0.0696 X(o=0.07,f=-0.073) USER MOD Set 1.2: A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.234 (180deg=-1.74!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 99:sc= 1.24 USER MOD Single : A 10 SER OG : rot -15:sc= 0.654 USER MOD Single : A 16 SER OG : rot -130:sc= -1.19 USER MOD Single : A 17 THR OG1 : rot -160:sc= 0 USER MOD Single : A 20 MET CE :methyl -152:sc= -0.338 (180deg=-1.8!) USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 23 GLN : amide:sc= -1.72! C(o=-1.7!,f=-5.4!) USER MOD Single : A 26 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.753 K(o=-0.75,f=-3!) USER MOD Single : A 36 CYS SG : rot 83:sc= 0.837 USER MOD Single : A 46 CYS SG : rot -13:sc= 0.0119 USER MOD Single : A 50 MET CE :methyl -148:sc= -0.443 (180deg=-2.28!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.487 -9.044 7.077 1.00 0.00 N ATOM 2 CA MET A 1 7.081 -7.692 6.913 1.00 0.00 C ATOM 3 C MET A 1 7.412 -7.086 8.271 1.00 0.00 C ATOM 4 O MET A 1 6.643 -7.154 9.209 1.00 0.00 O ATOM 5 CB MET A 1 6.017 -6.862 6.199 1.00 0.00 C ATOM 6 CG MET A 1 4.714 -6.907 6.987 1.00 0.00 C ATOM 7 SD MET A 1 3.452 -5.936 6.126 1.00 0.00 S ATOM 8 CE MET A 1 2.107 -6.216 7.305 1.00 0.00 C ATOM 0 H1 MET A 1 5.805 -9.219 6.311 1.00 0.00 H new ATOM 0 H2 MET A 1 7.240 -9.761 7.041 1.00 0.00 H new ATOM 0 H3 MET A 1 5.999 -9.100 7.994 1.00 0.00 H new ATOM 0 HA MET A 1 8.012 -7.725 6.347 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.355 -5.831 6.096 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.857 -7.247 5.192 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.380 -7.939 7.099 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.870 -6.512 7.991 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.211 -5.697 6.965 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.902 -7.284 7.376 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.397 -5.836 8.285 1.00 0.00 H new ATOM 20 N ASP A 2 8.557 -6.492 8.368 1.00 0.00 N ATOM 21 CA ASP A 2 8.977 -5.866 9.656 1.00 0.00 C ATOM 22 C ASP A 2 9.843 -4.635 9.384 1.00 0.00 C ATOM 23 O ASP A 2 9.674 -3.599 9.992 1.00 0.00 O ATOM 24 CB ASP A 2 9.788 -6.944 10.377 1.00 0.00 C ATOM 25 CG ASP A 2 10.294 -6.406 11.718 1.00 0.00 C ATOM 26 OD1 ASP A 2 10.007 -5.260 12.026 1.00 0.00 O ATOM 27 OD2 ASP A 2 10.964 -7.149 12.416 1.00 0.00 O ATOM 0 H ASP A 2 9.232 -6.408 7.608 1.00 0.00 H new ATOM 0 HA ASP A 2 8.126 -5.533 10.250 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.171 -7.828 10.539 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.630 -7.253 9.758 1.00 0.00 H new ATOM 32 N LYS A 3 10.771 -4.741 8.472 1.00 0.00 N ATOM 33 CA LYS A 3 11.651 -3.578 8.158 1.00 0.00 C ATOM 34 C LYS A 3 11.301 -3.008 6.782 1.00 0.00 C ATOM 35 O LYS A 3 11.596 -1.869 6.478 1.00 0.00 O ATOM 36 CB LYS A 3 13.077 -4.136 8.162 1.00 0.00 C ATOM 37 CG LYS A 3 13.236 -5.194 7.064 1.00 0.00 C ATOM 38 CD LYS A 3 14.676 -5.710 7.061 1.00 0.00 C ATOM 39 CE LYS A 3 14.828 -6.790 5.987 1.00 0.00 C ATOM 40 NZ LYS A 3 16.251 -7.223 6.077 1.00 0.00 N ATOM 0 H LYS A 3 10.958 -5.584 7.930 1.00 0.00 H new ATOM 0 HA LYS A 3 11.533 -2.768 8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.792 -3.328 8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 3 13.301 -4.574 9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.543 -6.018 7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.989 -4.766 6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 3 15.367 -4.890 6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.930 -6.117 8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 3 14.149 -7.624 6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.596 -6.398 4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 16.434 -7.964 5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.873 -6.410 5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 16.440 -7.598 7.028 1.00 0.00 H new ATOM 54 N VAL A 4 10.671 -3.787 5.950 1.00 0.00 N ATOM 55 CA VAL A 4 10.302 -3.285 4.598 1.00 0.00 C ATOM 56 C VAL A 4 9.193 -2.235 4.713 1.00 0.00 C ATOM 57 O VAL A 4 9.045 -1.379 3.864 1.00 0.00 O ATOM 58 CB VAL A 4 9.801 -4.515 3.840 1.00 0.00 C ATOM 59 CG1 VAL A 4 8.596 -5.113 4.570 1.00 0.00 C ATOM 60 CG2 VAL A 4 9.389 -4.110 2.423 1.00 0.00 C ATOM 0 H VAL A 4 10.396 -4.749 6.147 1.00 0.00 H new ATOM 0 HA VAL A 4 11.141 -2.809 4.089 1.00 0.00 H new ATOM 0 HB VAL A 4 10.598 -5.257 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.241 -5.989 4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.889 -5.404 5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.799 -4.372 4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.032 -4.987 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.594 -3.367 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.248 -3.687 1.901 1.00 0.00 H new ATOM 70 N GLN A 5 8.403 -2.302 5.751 1.00 0.00 N ATOM 71 CA GLN A 5 7.300 -1.318 5.913 1.00 0.00 C ATOM 72 C GLN A 5 7.836 0.021 6.439 1.00 0.00 C ATOM 73 O GLN A 5 7.446 1.075 5.980 1.00 0.00 O ATOM 74 CB GLN A 5 6.326 -1.954 6.912 1.00 0.00 C ATOM 75 CG GLN A 5 6.995 -2.113 8.281 1.00 0.00 C ATOM 76 CD GLN A 5 6.028 -2.816 9.237 1.00 0.00 C ATOM 77 OE1 GLN A 5 5.626 -3.937 8.997 1.00 0.00 O ATOM 78 NE2 GLN A 5 5.633 -2.199 10.317 1.00 0.00 N ATOM 0 H GLN A 5 8.476 -2.998 6.493 1.00 0.00 H new ATOM 0 HA GLN A 5 6.811 -1.099 4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.434 -1.334 7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.001 -2.927 6.544 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.914 -2.691 8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.273 -1.137 8.679 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.970 -1.258 10.519 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.987 -2.658 10.959 1.00 0.00 H new ATOM 87 N TYR A 6 8.725 -0.006 7.397 1.00 0.00 N ATOM 88 CA TYR A 6 9.268 1.274 7.936 1.00 0.00 C ATOM 89 C TYR A 6 10.133 1.973 6.885 1.00 0.00 C ATOM 90 O TYR A 6 10.042 3.169 6.688 1.00 0.00 O ATOM 91 CB TYR A 6 10.117 0.886 9.149 1.00 0.00 C ATOM 92 CG TYR A 6 9.239 0.280 10.218 1.00 0.00 C ATOM 93 CD1 TYR A 6 8.156 1.004 10.730 1.00 0.00 C ATOM 94 CD2 TYR A 6 9.515 -1.003 10.704 1.00 0.00 C ATOM 95 CE1 TYR A 6 7.349 0.446 11.728 1.00 0.00 C ATOM 96 CE2 TYR A 6 8.708 -1.563 11.703 1.00 0.00 C ATOM 97 CZ TYR A 6 7.625 -0.839 12.215 1.00 0.00 C ATOM 98 OH TYR A 6 6.830 -1.390 13.199 1.00 0.00 O ATOM 0 H TYR A 6 9.096 -0.853 7.827 1.00 0.00 H new ATOM 0 HA TYR A 6 8.470 1.966 8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.887 0.174 8.852 1.00 0.00 H new ATOM 0 HB3 TYR A 6 10.629 1.765 9.542 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.943 1.994 10.355 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.350 -1.562 10.309 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.514 1.005 12.123 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.921 -2.553 12.078 1.00 0.00 H new ATOM 0 HH TYR A 6 7.159 -2.286 13.421 1.00 0.00 H new ATOM 108 N LEU A 7 10.977 1.241 6.211 1.00 0.00 N ATOM 109 CA LEU A 7 11.848 1.868 5.178 1.00 0.00 C ATOM 110 C LEU A 7 10.980 2.531 4.106 1.00 0.00 C ATOM 111 O LEU A 7 11.180 3.675 3.748 1.00 0.00 O ATOM 112 CB LEU A 7 12.659 0.706 4.600 1.00 0.00 C ATOM 113 CG LEU A 7 13.748 1.212 3.633 1.00 0.00 C ATOM 114 CD1 LEU A 7 13.117 1.779 2.359 1.00 0.00 C ATOM 115 CD2 LEU A 7 14.591 2.289 4.319 1.00 0.00 C ATOM 0 H LEU A 7 11.101 0.236 6.331 1.00 0.00 H new ATOM 0 HA LEU A 7 12.497 2.647 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.122 0.144 5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.994 0.020 4.076 1.00 0.00 H new ATOM 0 HG LEU A 7 14.387 0.372 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 7 13.902 2.131 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 7 12.538 1.000 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.461 2.610 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.359 2.643 3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.951 3.123 4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.064 1.870 5.207 1.00 0.00 H new ATOM 127 N THR A 8 10.019 1.817 3.591 1.00 0.00 N ATOM 128 CA THR A 8 9.137 2.397 2.538 1.00 0.00 C ATOM 129 C THR A 8 8.310 3.549 3.111 1.00 0.00 C ATOM 130 O THR A 8 8.092 4.553 2.462 1.00 0.00 O ATOM 131 CB THR A 8 8.224 1.250 2.114 1.00 0.00 C ATOM 132 OG1 THR A 8 9.014 0.169 1.638 1.00 0.00 O ATOM 133 CG2 THR A 8 7.283 1.724 1.006 1.00 0.00 C ATOM 0 H THR A 8 9.805 0.855 3.854 1.00 0.00 H new ATOM 0 HA THR A 8 9.707 2.801 1.701 1.00 0.00 H new ATOM 0 HB THR A 8 7.634 0.921 2.970 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.122 -0.496 2.350 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.632 0.903 0.705 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.676 2.552 1.373 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.869 2.056 0.149 1.00 0.00 H new ATOM 141 N ARG A 9 7.848 3.416 4.326 1.00 0.00 N ATOM 142 CA ARG A 9 7.037 4.506 4.937 1.00 0.00 C ATOM 143 C ARG A 9 7.820 5.817 4.878 1.00 0.00 C ATOM 144 O ARG A 9 7.317 6.838 4.457 1.00 0.00 O ATOM 145 CB ARG A 9 6.814 4.071 6.380 1.00 0.00 C ATOM 146 CG ARG A 9 6.014 5.125 7.165 1.00 0.00 C ATOM 147 CD ARG A 9 4.569 5.208 6.651 1.00 0.00 C ATOM 148 NE ARG A 9 4.630 5.965 5.371 1.00 0.00 N ATOM 149 CZ ARG A 9 3.548 6.138 4.661 1.00 0.00 C ATOM 150 NH1 ARG A 9 2.381 6.162 5.244 1.00 0.00 N ATOM 151 NH2 ARG A 9 3.635 6.285 3.367 1.00 0.00 N ATOM 0 H ARG A 9 7.998 2.600 4.920 1.00 0.00 H new ATOM 0 HA ARG A 9 6.092 4.671 4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.281 3.120 6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.776 3.906 6.865 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.014 4.872 8.225 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.495 6.098 7.070 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.153 4.213 6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.927 5.713 7.373 1.00 0.00 H new ATOM 0 HE ARG A 9 5.518 6.349 5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.314 6.046 6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.536 6.297 4.689 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.547 6.265 2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.791 6.420 2.811 1.00 0.00 H new ATOM 165 N SER A 10 9.056 5.787 5.288 1.00 0.00 N ATOM 166 CA SER A 10 9.883 7.020 5.247 1.00 0.00 C ATOM 167 C SER A 10 10.284 7.334 3.802 1.00 0.00 C ATOM 168 O SER A 10 10.680 8.438 3.485 1.00 0.00 O ATOM 169 CB SER A 10 11.117 6.698 6.086 1.00 0.00 C ATOM 170 OG SER A 10 11.797 5.588 5.513 1.00 0.00 O ATOM 0 H SER A 10 9.529 4.959 5.650 1.00 0.00 H new ATOM 0 HA SER A 10 9.349 7.890 5.628 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.779 7.563 6.127 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.825 6.471 7.111 1.00 0.00 H new ATOM 0 HG SER A 10 11.210 5.142 4.867 1.00 0.00 H new ATOM 176 N ALA A 11 10.191 6.368 2.924 1.00 0.00 N ATOM 177 CA ALA A 11 10.573 6.610 1.509 1.00 0.00 C ATOM 178 C ALA A 11 9.425 7.274 0.741 1.00 0.00 C ATOM 179 O ALA A 11 9.611 7.779 -0.348 1.00 0.00 O ATOM 180 CB ALA A 11 10.866 5.221 0.938 1.00 0.00 C ATOM 0 H ALA A 11 9.866 5.423 3.130 1.00 0.00 H new ATOM 0 HA ALA A 11 11.429 7.280 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.157 5.312 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.677 4.760 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.973 4.601 1.014 1.00 0.00 H new ATOM 186 N ILE A 12 8.241 7.277 1.291 1.00 0.00 N ATOM 187 CA ILE A 12 7.097 7.902 0.582 1.00 0.00 C ATOM 188 C ILE A 12 6.436 8.975 1.450 1.00 0.00 C ATOM 189 O ILE A 12 5.950 9.970 0.957 1.00 0.00 O ATOM 190 CB ILE A 12 6.129 6.760 0.311 1.00 0.00 C ATOM 191 CG1 ILE A 12 6.824 5.693 -0.538 1.00 0.00 C ATOM 192 CG2 ILE A 12 4.904 7.290 -0.438 1.00 0.00 C ATOM 193 CD1 ILE A 12 5.850 4.548 -0.814 1.00 0.00 C ATOM 0 H ILE A 12 8.020 6.873 2.201 1.00 0.00 H new ATOM 0 HA ILE A 12 7.412 8.400 -0.335 1.00 0.00 H new ATOM 0 HB ILE A 12 5.812 6.323 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 12 7.167 6.127 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.706 5.317 -0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.212 6.470 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.408 8.049 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.218 7.730 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.344 3.788 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.528 4.108 0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.982 4.930 -1.351 1.00 0.00 H new ATOM 205 N ARG A 13 6.412 8.784 2.742 1.00 0.00 N ATOM 206 CA ARG A 13 5.779 9.798 3.635 1.00 0.00 C ATOM 207 C ARG A 13 6.405 11.169 3.369 1.00 0.00 C ATOM 208 O ARG A 13 5.730 12.178 3.349 1.00 0.00 O ATOM 209 CB ARG A 13 6.086 9.299 5.056 1.00 0.00 C ATOM 210 CG ARG A 13 5.313 10.104 6.115 1.00 0.00 C ATOM 211 CD ARG A 13 5.987 11.457 6.380 1.00 0.00 C ATOM 212 NE ARG A 13 7.383 11.128 6.781 1.00 0.00 N ATOM 213 CZ ARG A 13 7.611 10.430 7.864 1.00 0.00 C ATOM 214 NH1 ARG A 13 7.624 11.018 9.029 1.00 0.00 N ATOM 215 NH2 ARG A 13 7.828 9.146 7.784 1.00 0.00 N ATOM 0 H ARG A 13 6.803 7.971 3.217 1.00 0.00 H new ATOM 0 HA ARG A 13 4.706 9.911 3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.824 8.244 5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.156 9.378 5.247 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.289 10.264 5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.259 9.533 7.042 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.971 12.086 5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.471 12.006 7.167 1.00 0.00 H new ATOM 0 HE ARG A 13 8.165 11.448 6.209 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.456 12.022 9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.802 10.474 9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.820 8.683 6.875 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.005 8.605 8.630 1.00 0.00 H new ATOM 229 N ARG A 14 7.691 11.211 3.163 1.00 0.00 N ATOM 230 CA ARG A 14 8.363 12.500 2.901 1.00 0.00 C ATOM 231 C ARG A 14 8.080 12.975 1.469 1.00 0.00 C ATOM 232 O ARG A 14 8.274 14.128 1.140 1.00 0.00 O ATOM 233 CB ARG A 14 9.846 12.188 3.090 1.00 0.00 C ATOM 234 CG ARG A 14 10.663 13.420 2.738 1.00 0.00 C ATOM 235 CD ARG A 14 10.327 14.556 3.710 1.00 0.00 C ATOM 236 NE ARG A 14 10.664 14.025 5.063 1.00 0.00 N ATOM 237 CZ ARG A 14 11.891 13.678 5.346 1.00 0.00 C ATOM 238 NH1 ARG A 14 12.841 14.571 5.331 1.00 0.00 N ATOM 239 NH2 ARG A 14 12.166 12.438 5.642 1.00 0.00 N ATOM 0 H ARG A 14 8.305 10.397 3.166 1.00 0.00 H new ATOM 0 HA ARG A 14 8.018 13.298 3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.039 11.891 4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.138 11.350 2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.727 13.189 2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.451 13.729 1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.905 15.452 3.483 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.274 14.831 3.646 1.00 0.00 H new ATOM 0 HE ARG A 14 9.934 13.933 5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.626 15.541 5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.799 14.300 5.552 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.423 11.739 5.652 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.124 12.167 5.863 1.00 0.00 H new ATOM 253 N ALA A 15 7.630 12.095 0.613 1.00 0.00 N ATOM 254 CA ALA A 15 7.342 12.501 -0.789 1.00 0.00 C ATOM 255 C ALA A 15 5.856 12.308 -1.117 1.00 0.00 C ATOM 256 O ALA A 15 5.450 12.396 -2.259 1.00 0.00 O ATOM 257 CB ALA A 15 8.203 11.580 -1.654 1.00 0.00 C ATOM 0 H ALA A 15 7.450 11.114 0.827 1.00 0.00 H new ATOM 0 HA ALA A 15 7.565 13.554 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.046 11.818 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.254 11.722 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.923 10.543 -1.471 1.00 0.00 H new ATOM 263 N SER A 16 5.042 12.044 -0.130 1.00 0.00 N ATOM 264 CA SER A 16 3.593 11.843 -0.394 1.00 0.00 C ATOM 265 C SER A 16 2.724 12.488 0.686 1.00 0.00 C ATOM 266 O SER A 16 1.520 12.322 0.709 1.00 0.00 O ATOM 267 CB SER A 16 3.399 10.343 -0.383 1.00 0.00 C ATOM 268 OG SER A 16 4.071 9.766 -1.496 1.00 0.00 O ATOM 0 H SER A 16 5.321 11.959 0.847 1.00 0.00 H new ATOM 0 HA SER A 16 3.299 12.303 -1.337 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.786 9.923 0.546 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.336 10.103 -0.423 1.00 0.00 H new ATOM 0 HG SER A 16 3.460 9.166 -1.972 1.00 0.00 H new ATOM 274 N THR A 17 3.318 13.219 1.577 1.00 0.00 N ATOM 275 CA THR A 17 2.533 13.873 2.654 1.00 0.00 C ATOM 276 C THR A 17 2.827 15.376 2.686 1.00 0.00 C ATOM 277 O THR A 17 2.012 16.167 3.117 1.00 0.00 O ATOM 278 CB THR A 17 2.996 13.204 3.949 1.00 0.00 C ATOM 279 OG1 THR A 17 2.745 11.808 3.875 1.00 0.00 O ATOM 280 CG2 THR A 17 2.232 13.798 5.134 1.00 0.00 C ATOM 0 H THR A 17 4.322 13.394 1.607 1.00 0.00 H new ATOM 0 HA THR A 17 1.459 13.765 2.505 1.00 0.00 H new ATOM 0 HB THR A 17 4.064 13.375 4.085 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.735 11.429 4.779 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.563 13.320 6.056 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.424 14.869 5.191 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.164 13.628 5.000 1.00 0.00 H new ATOM 288 N ILE A 18 3.979 15.782 2.220 1.00 0.00 N ATOM 289 CA ILE A 18 4.310 17.228 2.211 1.00 0.00 C ATOM 290 C ILE A 18 4.117 17.799 0.803 1.00 0.00 C ATOM 291 O ILE A 18 4.010 18.995 0.617 1.00 0.00 O ATOM 292 CB ILE A 18 5.778 17.305 2.628 1.00 0.00 C ATOM 293 CG1 ILE A 18 6.214 18.772 2.677 1.00 0.00 C ATOM 294 CG2 ILE A 18 6.637 16.550 1.613 1.00 0.00 C ATOM 295 CD1 ILE A 18 5.346 19.532 3.681 1.00 0.00 C ATOM 0 H ILE A 18 4.703 15.169 1.845 1.00 0.00 H new ATOM 0 HA ILE A 18 3.671 17.804 2.880 1.00 0.00 H new ATOM 0 HB ILE A 18 5.902 16.854 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.264 18.841 2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.123 19.222 1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.684 16.605 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.324 15.506 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.516 17.000 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.658 20.576 3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.301 19.475 3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.459 19.088 4.670 1.00 0.00 H new ATOM 307 N GLU A 19 4.061 16.951 -0.192 1.00 0.00 N ATOM 308 CA GLU A 19 3.868 17.439 -1.582 1.00 0.00 C ATOM 309 C GLU A 19 2.645 16.763 -2.219 1.00 0.00 C ATOM 310 O GLU A 19 2.281 17.052 -3.343 1.00 0.00 O ATOM 311 CB GLU A 19 5.148 17.052 -2.323 1.00 0.00 C ATOM 312 CG GLU A 19 5.321 15.532 -2.290 1.00 0.00 C ATOM 313 CD GLU A 19 6.602 15.147 -3.034 1.00 0.00 C ATOM 314 OE1 GLU A 19 7.660 15.590 -2.618 1.00 0.00 O ATOM 315 OE2 GLU A 19 6.503 14.416 -4.005 1.00 0.00 O ATOM 0 H GLU A 19 4.141 15.939 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 19 3.688 18.513 -1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.102 17.401 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.008 17.536 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.368 15.183 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.460 15.047 -2.751 1.00 0.00 H new ATOM 322 N MET A 20 2.008 15.867 -1.511 1.00 0.00 N ATOM 323 CA MET A 20 0.812 15.173 -2.067 1.00 0.00 C ATOM 324 C MET A 20 0.001 14.566 -0.919 1.00 0.00 C ATOM 325 O MET A 20 -0.130 13.366 -0.826 1.00 0.00 O ATOM 326 CB MET A 20 1.373 14.081 -2.976 1.00 0.00 C ATOM 327 CG MET A 20 0.218 13.364 -3.674 1.00 0.00 C ATOM 328 SD MET A 20 0.874 12.038 -4.718 1.00 0.00 S ATOM 329 CE MET A 20 1.891 13.079 -5.793 1.00 0.00 C ATOM 0 H MET A 20 2.268 15.586 -0.566 1.00 0.00 H new ATOM 0 HA MET A 20 0.148 15.842 -2.614 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.046 14.517 -3.715 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.958 13.370 -2.392 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.469 12.953 -2.934 1.00 0.00 H new ATOM 0 HG3 MET A 20 -0.350 14.070 -4.279 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.990 12.606 -6.770 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.418 14.054 -5.908 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.879 13.205 -5.349 1.00 0.00 H new ATOM 339 N PRO A 21 -0.512 15.424 -0.071 1.00 0.00 N ATOM 340 CA PRO A 21 -1.308 14.964 1.086 1.00 0.00 C ATOM 341 C PRO A 21 -2.758 14.707 0.670 1.00 0.00 C ATOM 342 O PRO A 21 -3.331 13.681 0.980 1.00 0.00 O ATOM 343 CB PRO A 21 -1.226 16.136 2.057 1.00 0.00 C ATOM 344 CG PRO A 21 -0.963 17.344 1.216 1.00 0.00 C ATOM 345 CD PRO A 21 -0.399 16.885 -0.109 1.00 0.00 C ATOM 0 HA PRO A 21 -0.944 14.030 1.514 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.154 16.245 2.618 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.429 15.985 2.785 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.883 17.908 1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.261 18.010 1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.959 17.305 -0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.638 17.200 -0.229 1.00 0.00 H new ATOM 353 N GLN A 22 -3.355 15.633 -0.027 1.00 0.00 N ATOM 354 CA GLN A 22 -4.768 15.442 -0.459 1.00 0.00 C ATOM 355 C GLN A 22 -4.891 14.198 -1.342 1.00 0.00 C ATOM 356 O GLN A 22 -5.744 13.361 -1.132 1.00 0.00 O ATOM 357 CB GLN A 22 -5.120 16.697 -1.244 1.00 0.00 C ATOM 358 CG GLN A 22 -5.003 17.925 -0.332 1.00 0.00 C ATOM 359 CD GLN A 22 -5.371 19.211 -1.095 1.00 0.00 C ATOM 360 OE1 GLN A 22 -5.743 19.157 -2.351 1.00 0.00 O flip ATOM 361 NE2 GLN A 22 -5.320 20.286 -0.533 1.00 0.00 N flip ATOM 0 H GLN A 22 -2.927 16.512 -0.316 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.439 15.294 0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.453 16.802 -2.099 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.133 16.619 -1.638 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.660 17.807 0.530 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.986 18.003 0.051 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.032 20.338 0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.566 21.138 -1.038 1.00 0.00 H new ATOM 370 N GLN A 23 -4.042 14.067 -2.324 1.00 0.00 N ATOM 371 CA GLN A 23 -4.116 12.875 -3.210 1.00 0.00 C ATOM 372 C GLN A 23 -3.682 11.625 -2.447 1.00 0.00 C ATOM 373 O GLN A 23 -4.382 10.631 -2.428 1.00 0.00 O ATOM 374 CB GLN A 23 -3.161 13.169 -4.358 1.00 0.00 C ATOM 375 CG GLN A 23 -3.100 11.970 -5.312 1.00 0.00 C ATOM 376 CD GLN A 23 -4.486 11.706 -5.908 1.00 0.00 C ATOM 377 OE1 GLN A 23 -5.417 11.380 -5.200 1.00 0.00 O ATOM 378 NE2 GLN A 23 -4.662 11.834 -7.195 1.00 0.00 N ATOM 0 H GLN A 23 -3.303 14.733 -2.549 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.128 12.689 -3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.491 14.057 -4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.166 13.384 -3.968 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.383 12.165 -6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.750 11.087 -4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.881 12.108 -7.792 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.580 11.660 -7.604 1.00 0.00 H new ATOM 387 N ALA A 24 -2.539 11.658 -1.806 1.00 0.00 N ATOM 388 CA ALA A 24 -2.092 10.453 -1.040 1.00 0.00 C ATOM 389 C ALA A 24 -3.216 9.986 -0.110 1.00 0.00 C ATOM 390 O ALA A 24 -3.431 8.806 0.077 1.00 0.00 O ATOM 391 CB ALA A 24 -0.879 10.906 -0.232 1.00 0.00 C ATOM 0 H ALA A 24 -1.904 12.456 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.843 9.618 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.500 10.069 0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.101 11.257 -0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.169 11.716 0.437 1.00 0.00 H new ATOM 397 N ARG A 25 -3.942 10.908 0.463 1.00 0.00 N ATOM 398 CA ARG A 25 -5.060 10.518 1.362 1.00 0.00 C ATOM 399 C ARG A 25 -6.077 9.688 0.577 1.00 0.00 C ATOM 400 O ARG A 25 -6.574 8.684 1.045 1.00 0.00 O ATOM 401 CB ARG A 25 -5.682 11.830 1.822 1.00 0.00 C ATOM 402 CG ARG A 25 -6.865 11.539 2.747 1.00 0.00 C ATOM 403 CD ARG A 25 -7.492 12.857 3.203 1.00 0.00 C ATOM 404 NE ARG A 25 -6.417 13.563 3.952 1.00 0.00 N ATOM 405 CZ ARG A 25 -5.947 13.054 5.061 1.00 0.00 C ATOM 406 NH1 ARG A 25 -6.582 13.245 6.183 1.00 0.00 N ATOM 407 NH2 ARG A 25 -4.841 12.360 5.046 1.00 0.00 N ATOM 0 H ARG A 25 -3.808 11.912 0.346 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.727 9.916 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.939 12.433 2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.015 12.409 0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.606 10.932 2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.532 10.964 3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.831 13.447 2.351 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.362 12.681 3.836 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.046 14.445 3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.444 13.791 6.195 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.217 12.849 7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.342 12.214 4.168 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.476 11.964 5.912 1.00 0.00 H new ATOM 421 N GLN A 26 -6.381 10.105 -0.622 1.00 0.00 N ATOM 422 CA GLN A 26 -7.352 9.350 -1.454 1.00 0.00 C ATOM 423 C GLN A 26 -6.761 8.000 -1.855 1.00 0.00 C ATOM 424 O GLN A 26 -7.329 6.957 -1.601 1.00 0.00 O ATOM 425 CB GLN A 26 -7.574 10.223 -2.681 1.00 0.00 C ATOM 426 CG GLN A 26 -8.135 11.576 -2.245 1.00 0.00 C ATOM 427 CD GLN A 26 -9.466 11.367 -1.520 1.00 0.00 C ATOM 428 OE1 GLN A 26 -10.406 10.843 -2.087 1.00 0.00 O ATOM 429 NE2 GLN A 26 -9.588 11.754 -0.280 1.00 0.00 N ATOM 0 H GLN A 26 -5.995 10.941 -1.060 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.283 9.144 -0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.635 10.362 -3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.265 9.735 -3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.426 12.081 -1.588 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.279 12.219 -3.113 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.801 12.194 0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.471 11.617 0.213 1.00 0.00 H new ATOM 438 N ASN A 27 -5.616 8.016 -2.479 1.00 0.00 N ATOM 439 CA ASN A 27 -4.976 6.737 -2.898 1.00 0.00 C ATOM 440 C ASN A 27 -4.772 5.825 -1.686 1.00 0.00 C ATOM 441 O ASN A 27 -4.809 4.616 -1.792 1.00 0.00 O ATOM 442 CB ASN A 27 -3.637 7.142 -3.498 1.00 0.00 C ATOM 443 CG ASN A 27 -2.884 5.895 -3.967 1.00 0.00 C ATOM 444 OD1 ASN A 27 -3.371 5.153 -4.798 1.00 0.00 O ATOM 445 ND2 ASN A 27 -1.706 5.634 -3.471 1.00 0.00 N ATOM 0 H ASN A 27 -5.095 8.860 -2.717 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.588 6.183 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.794 7.821 -4.336 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.044 7.680 -2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.194 4.808 -3.780 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.297 6.256 -2.774 1.00 0.00 H new ATOM 452 N LEU A 28 -4.557 6.399 -0.533 1.00 0.00 N ATOM 453 CA LEU A 28 -4.350 5.571 0.689 1.00 0.00 C ATOM 454 C LEU A 28 -5.594 4.729 0.985 1.00 0.00 C ATOM 455 O LEU A 28 -5.506 3.654 1.545 1.00 0.00 O ATOM 456 CB LEU A 28 -4.107 6.576 1.804 1.00 0.00 C ATOM 457 CG LEU A 28 -3.911 5.836 3.130 1.00 0.00 C ATOM 458 CD1 LEU A 28 -2.714 4.890 3.016 1.00 0.00 C ATOM 459 CD2 LEU A 28 -3.657 6.853 4.245 1.00 0.00 C ATOM 0 H LEU A 28 -4.516 7.407 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.521 4.873 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.227 7.178 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.951 7.261 1.880 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.806 5.258 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.575 4.364 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.896 4.167 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.817 5.465 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.517 6.329 5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.762 7.430 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.511 7.525 4.326 1.00 0.00 H new ATOM 471 N GLN A 29 -6.751 5.208 0.618 1.00 0.00 N ATOM 472 CA GLN A 29 -7.995 4.433 0.883 1.00 0.00 C ATOM 473 C GLN A 29 -7.921 3.052 0.228 1.00 0.00 C ATOM 474 O GLN A 29 -8.473 2.091 0.722 1.00 0.00 O ATOM 475 CB GLN A 29 -9.119 5.256 0.268 1.00 0.00 C ATOM 476 CG GLN A 29 -9.205 6.617 0.963 1.00 0.00 C ATOM 477 CD GLN A 29 -10.369 7.448 0.394 1.00 0.00 C ATOM 478 OE1 GLN A 29 -11.137 6.963 -0.552 1.00 0.00 O flip ATOM 479 NE2 GLN A 29 -10.587 8.563 0.825 1.00 0.00 N flip ATOM 0 H GLN A 29 -6.888 6.102 0.146 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.149 4.266 1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.940 5.393 -0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.066 4.726 0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.343 6.475 2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.268 7.158 0.831 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.996 8.950 1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.361 9.112 0.451 1.00 0.00 H new ATOM 488 N ASN A 30 -7.244 2.947 -0.882 1.00 0.00 N ATOM 489 CA ASN A 30 -7.138 1.629 -1.569 1.00 0.00 C ATOM 490 C ASN A 30 -6.464 0.600 -0.660 1.00 0.00 C ATOM 491 O ASN A 30 -6.894 -0.533 -0.564 1.00 0.00 O ATOM 492 CB ASN A 30 -6.289 1.896 -2.803 1.00 0.00 C ATOM 493 CG ASN A 30 -6.099 0.595 -3.587 1.00 0.00 C ATOM 494 OD1 ASN A 30 -7.057 -0.013 -4.018 1.00 0.00 O ATOM 495 ND2 ASN A 30 -4.893 0.141 -3.793 1.00 0.00 N ATOM 0 H ASN A 30 -6.759 3.717 -1.343 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.115 1.221 -1.826 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.770 2.645 -3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.320 2.300 -2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.756 -0.724 -4.316 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.087 0.651 -3.431 1.00 0.00 H new ATOM 502 N LEU A 31 -5.409 0.981 0.007 1.00 0.00 N ATOM 503 CA LEU A 31 -4.710 0.021 0.907 1.00 0.00 C ATOM 504 C LEU A 31 -5.702 -0.606 1.891 1.00 0.00 C ATOM 505 O LEU A 31 -5.549 -1.740 2.301 1.00 0.00 O ATOM 506 CB LEU A 31 -3.677 0.859 1.647 1.00 0.00 C ATOM 507 CG LEU A 31 -2.891 -0.029 2.613 1.00 0.00 C ATOM 508 CD1 LEU A 31 -2.184 -1.136 1.827 1.00 0.00 C ATOM 509 CD2 LEU A 31 -1.851 0.818 3.350 1.00 0.00 C ATOM 0 H LEU A 31 -5.001 1.915 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.251 -0.801 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.998 1.329 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.170 1.662 2.195 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.574 -0.476 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.624 -1.769 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.924 -1.738 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.500 -0.690 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.290 0.187 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.167 1.264 2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.354 1.607 3.909 1.00 0.00 H new ATOM 521 N PHE A 32 -6.713 0.123 2.273 1.00 0.00 N ATOM 522 CA PHE A 32 -7.708 -0.429 3.232 1.00 0.00 C ATOM 523 C PHE A 32 -8.548 -1.517 2.557 1.00 0.00 C ATOM 524 O PHE A 32 -8.551 -2.659 2.972 1.00 0.00 O ATOM 525 CB PHE A 32 -8.584 0.759 3.628 1.00 0.00 C ATOM 526 CG PHE A 32 -9.606 0.312 4.646 1.00 0.00 C ATOM 527 CD1 PHE A 32 -9.185 -0.232 5.867 1.00 0.00 C ATOM 528 CD2 PHE A 32 -10.972 0.440 4.373 1.00 0.00 C ATOM 529 CE1 PHE A 32 -10.129 -0.646 6.811 1.00 0.00 C ATOM 530 CE2 PHE A 32 -11.918 0.025 5.318 1.00 0.00 C ATOM 531 CZ PHE A 32 -11.496 -0.518 6.537 1.00 0.00 C ATOM 0 H PHE A 32 -6.893 1.078 1.962 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.233 -0.888 4.099 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.968 1.557 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.084 1.165 2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.131 -0.331 6.079 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.297 0.859 3.432 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.804 -1.065 7.752 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -12.972 0.124 5.107 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.225 -0.838 7.267 1.00 0.00 H new ATOM 541 N ILE A 33 -9.260 -1.173 1.518 1.00 0.00 N ATOM 542 CA ILE A 33 -10.096 -2.188 0.816 1.00 0.00 C ATOM 543 C ILE A 33 -9.211 -3.299 0.248 1.00 0.00 C ATOM 544 O ILE A 33 -9.608 -4.443 0.171 1.00 0.00 O ATOM 545 CB ILE A 33 -10.790 -1.426 -0.305 1.00 0.00 C ATOM 546 CG1 ILE A 33 -11.668 -0.322 0.290 1.00 0.00 C ATOM 547 CG2 ILE A 33 -11.660 -2.385 -1.119 1.00 0.00 C ATOM 548 CD1 ILE A 33 -12.346 0.454 -0.839 1.00 0.00 C ATOM 0 H ILE A 33 -9.299 -0.233 1.125 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.813 -2.665 1.484 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.037 -0.980 -0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -12.419 -0.756 0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.063 0.352 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.155 -1.836 -1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.035 -3.168 -1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -12.411 -2.835 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -12.971 1.240 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -11.587 0.900 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -12.964 -0.225 -1.427 1.00 0.00 H new ATOM 560 N ASN A 34 -8.010 -2.970 -0.146 1.00 0.00 N ATOM 561 CA ASN A 34 -7.100 -4.009 -0.701 1.00 0.00 C ATOM 562 C ASN A 34 -6.852 -5.091 0.351 1.00 0.00 C ATOM 563 O ASN A 34 -7.008 -6.269 0.097 1.00 0.00 O ATOM 564 CB ASN A 34 -5.803 -3.272 -1.030 1.00 0.00 C ATOM 565 CG ASN A 34 -4.794 -4.256 -1.622 1.00 0.00 C ATOM 566 OD1 ASN A 34 -4.413 -5.215 -0.979 1.00 0.00 O ATOM 567 ND2 ASN A 34 -4.343 -4.062 -2.831 1.00 0.00 N ATOM 0 H ASN A 34 -7.622 -2.028 -0.107 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.516 -4.501 -1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.999 -2.466 -1.737 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.394 -2.813 -0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.672 -4.715 -3.236 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.662 -3.258 -3.371 1.00 0.00 H new ATOM 574 N PHE A 35 -6.475 -4.695 1.535 1.00 0.00 N ATOM 575 CA PHE A 35 -6.225 -5.692 2.612 1.00 0.00 C ATOM 576 C PHE A 35 -7.485 -6.531 2.830 1.00 0.00 C ATOM 577 O PHE A 35 -7.438 -7.742 2.916 1.00 0.00 O ATOM 578 CB PHE A 35 -5.911 -4.848 3.855 1.00 0.00 C ATOM 579 CG PHE A 35 -5.530 -5.720 5.044 1.00 0.00 C ATOM 580 CD1 PHE A 35 -5.377 -7.112 4.914 1.00 0.00 C ATOM 581 CD2 PHE A 35 -5.315 -5.114 6.289 1.00 0.00 C ATOM 582 CE1 PHE A 35 -5.019 -7.886 6.025 1.00 0.00 C ATOM 583 CE2 PHE A 35 -4.955 -5.889 7.398 1.00 0.00 C ATOM 584 CZ PHE A 35 -4.808 -7.274 7.266 1.00 0.00 C ATOM 0 H PHE A 35 -6.329 -3.722 1.803 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.415 -6.382 2.376 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.096 -4.160 3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.779 -4.241 4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.536 -7.585 3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.427 -4.045 6.393 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.906 -8.955 5.924 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.791 -5.418 8.356 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.532 -7.871 8.122 1.00 0.00 H new ATOM 594 N CYS A 36 -8.618 -5.889 2.919 1.00 0.00 N ATOM 595 CA CYS A 36 -9.890 -6.632 3.125 1.00 0.00 C ATOM 596 C CYS A 36 -10.144 -7.588 1.954 1.00 0.00 C ATOM 597 O CYS A 36 -10.872 -8.552 2.073 1.00 0.00 O ATOM 598 CB CYS A 36 -10.969 -5.548 3.176 1.00 0.00 C ATOM 599 SG CYS A 36 -10.627 -4.415 4.545 1.00 0.00 S ATOM 0 H CYS A 36 -8.716 -4.876 2.857 1.00 0.00 H new ATOM 0 HA CYS A 36 -9.874 -7.240 4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.993 -5.000 2.234 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.951 -6.004 3.304 1.00 0.00 H new ATOM 0 HG CYS A 36 -9.752 -3.531 4.168 1.00 0.00 H new ATOM 605 N LEU A 37 -9.554 -7.318 0.822 1.00 0.00 N ATOM 606 CA LEU A 37 -9.761 -8.197 -0.360 1.00 0.00 C ATOM 607 C LEU A 37 -8.710 -9.313 -0.390 1.00 0.00 C ATOM 608 O LEU A 37 -9.021 -10.464 -0.621 1.00 0.00 O ATOM 609 CB LEU A 37 -9.617 -7.258 -1.561 1.00 0.00 C ATOM 610 CG LEU A 37 -9.884 -8.018 -2.866 1.00 0.00 C ATOM 611 CD1 LEU A 37 -10.127 -7.009 -3.984 1.00 0.00 C ATOM 612 CD2 LEU A 37 -8.665 -8.870 -3.230 1.00 0.00 C ATOM 0 H LEU A 37 -8.935 -6.522 0.666 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.729 -8.699 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.316 -6.427 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.614 -6.831 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.754 -8.662 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.318 -7.539 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.989 -6.391 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.248 -6.376 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.861 -9.407 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.796 -8.225 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.469 -9.585 -2.431 1.00 0.00 H new ATOM 624 N ILE A 38 -7.468 -8.978 -0.172 1.00 0.00 N ATOM 625 CA ILE A 38 -6.393 -10.016 -0.200 1.00 0.00 C ATOM 626 C ILE A 38 -6.492 -10.933 1.024 1.00 0.00 C ATOM 627 O ILE A 38 -5.949 -12.020 1.043 1.00 0.00 O ATOM 628 CB ILE A 38 -5.083 -9.222 -0.166 1.00 0.00 C ATOM 629 CG1 ILE A 38 -3.899 -10.182 -0.302 1.00 0.00 C ATOM 630 CG2 ILE A 38 -4.966 -8.466 1.160 1.00 0.00 C ATOM 631 CD1 ILE A 38 -2.591 -9.387 -0.272 1.00 0.00 C ATOM 0 H ILE A 38 -7.149 -8.030 0.025 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.467 -10.658 -1.078 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.078 -8.510 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.913 -10.911 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.976 -10.741 -1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.032 -7.904 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.806 -7.778 1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.977 -9.177 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.747 -10.071 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.578 -8.676 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.515 -8.848 0.672 1.00 0.00 H new ATOM 643 N LEU A 39 -7.169 -10.497 2.047 1.00 0.00 N ATOM 644 CA LEU A 39 -7.294 -11.324 3.269 1.00 0.00 C ATOM 645 C LEU A 39 -8.226 -12.521 3.034 1.00 0.00 C ATOM 646 O LEU A 39 -8.199 -13.485 3.774 1.00 0.00 O ATOM 647 CB LEU A 39 -7.876 -10.366 4.310 1.00 0.00 C ATOM 648 CG LEU A 39 -8.212 -11.140 5.575 1.00 0.00 C ATOM 649 CD1 LEU A 39 -6.946 -11.789 6.135 1.00 0.00 C ATOM 650 CD2 LEU A 39 -8.810 -10.196 6.617 1.00 0.00 C ATOM 0 H LEU A 39 -7.644 -9.595 2.086 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.342 -11.751 3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.160 -9.575 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.771 -9.884 3.917 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.939 -11.916 5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.191 -12.343 7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.529 -12.472 5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.214 -11.016 6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.049 -10.756 7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.090 -9.413 6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.719 -9.744 6.220 1.00 0.00 H new ATOM 662 N ILE A 40 -9.054 -12.472 2.026 1.00 0.00 N ATOM 663 CA ILE A 40 -9.975 -13.614 1.779 1.00 0.00 C ATOM 664 C ILE A 40 -9.935 -14.044 0.309 1.00 0.00 C ATOM 665 O ILE A 40 -10.027 -15.215 -0.004 1.00 0.00 O ATOM 666 CB ILE A 40 -11.365 -13.095 2.152 1.00 0.00 C ATOM 667 CG1 ILE A 40 -11.717 -11.892 1.272 1.00 0.00 C ATOM 668 CG2 ILE A 40 -11.375 -12.671 3.622 1.00 0.00 C ATOM 669 CD1 ILE A 40 -13.104 -11.369 1.655 1.00 0.00 C ATOM 0 H ILE A 40 -9.131 -11.696 1.368 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.695 -14.491 2.363 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.099 -13.885 1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -10.973 -11.106 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -11.702 -12.180 0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -12.365 -12.301 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.127 -13.527 4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.639 -11.882 3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -13.356 -10.513 1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -13.843 -12.156 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -13.102 -11.065 2.702 1.00 0.00 H new ATOM 681 N PHE A 41 -9.803 -13.114 -0.595 1.00 0.00 N ATOM 682 CA PHE A 41 -9.763 -13.482 -2.040 1.00 0.00 C ATOM 683 C PHE A 41 -8.661 -14.513 -2.299 1.00 0.00 C ATOM 684 O PHE A 41 -8.705 -15.255 -3.261 1.00 0.00 O ATOM 685 CB PHE A 41 -9.456 -12.179 -2.775 1.00 0.00 C ATOM 686 CG PHE A 41 -9.417 -12.436 -4.261 1.00 0.00 C ATOM 687 CD1 PHE A 41 -10.552 -12.931 -4.918 1.00 0.00 C ATOM 688 CD2 PHE A 41 -8.247 -12.179 -4.985 1.00 0.00 C ATOM 689 CE1 PHE A 41 -10.515 -13.168 -6.297 1.00 0.00 C ATOM 690 CE2 PHE A 41 -8.211 -12.417 -6.364 1.00 0.00 C ATOM 691 CZ PHE A 41 -9.344 -12.911 -7.021 1.00 0.00 C ATOM 0 H PHE A 41 -9.721 -12.117 -0.398 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.700 -13.929 -2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.215 -11.432 -2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.500 -11.777 -2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.455 -13.130 -4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.372 -11.797 -4.480 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.390 -13.549 -6.803 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.308 -12.219 -6.922 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.315 -13.094 -8.085 1.00 0.00 H new ATOM 701 N LEU A 42 -7.670 -14.562 -1.451 1.00 0.00 N ATOM 702 CA LEU A 42 -6.571 -15.530 -1.645 1.00 0.00 C ATOM 703 C LEU A 42 -6.940 -16.889 -1.039 1.00 0.00 C ATOM 704 O LEU A 42 -7.034 -17.883 -1.730 1.00 0.00 O ATOM 705 CB LEU A 42 -5.391 -14.899 -0.908 1.00 0.00 C ATOM 706 CG LEU A 42 -4.229 -15.882 -0.878 1.00 0.00 C ATOM 707 CD1 LEU A 42 -3.806 -16.221 -2.310 1.00 0.00 C ATOM 708 CD2 LEU A 42 -3.051 -15.264 -0.125 1.00 0.00 C ATOM 0 H LEU A 42 -7.580 -13.966 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.350 -15.719 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.089 -13.977 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.683 -14.633 0.108 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.541 -16.794 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.974 -16.925 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.646 -16.669 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.497 -15.310 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.221 -15.970 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.737 -14.349 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.354 -15.031 0.896 1.00 0.00 H new ATOM 720 N LEU A 43 -7.138 -16.939 0.249 1.00 0.00 N ATOM 721 CA LEU A 43 -7.490 -18.234 0.903 1.00 0.00 C ATOM 722 C LEU A 43 -8.815 -18.784 0.363 1.00 0.00 C ATOM 723 O LEU A 43 -9.160 -19.926 0.592 1.00 0.00 O ATOM 724 CB LEU A 43 -7.580 -17.914 2.405 1.00 0.00 C ATOM 725 CG LEU A 43 -8.633 -16.824 2.686 1.00 0.00 C ATOM 726 CD1 LEU A 43 -10.045 -17.393 2.526 1.00 0.00 C ATOM 727 CD2 LEU A 43 -8.470 -16.336 4.126 1.00 0.00 C ATOM 0 H LEU A 43 -7.072 -16.139 0.879 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.749 -19.007 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.835 -18.819 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.606 -17.583 2.767 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.490 -16.006 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.777 -16.611 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.176 -17.759 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.188 -18.214 3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.211 -15.564 4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.613 -17.171 4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.470 -15.924 4.260 1.00 0.00 H new ATOM 739 N LEU A 44 -9.570 -17.982 -0.340 1.00 0.00 N ATOM 740 CA LEU A 44 -10.866 -18.452 -0.874 1.00 0.00 C ATOM 741 C LEU A 44 -10.683 -19.129 -2.239 1.00 0.00 C ATOM 742 O LEU A 44 -11.060 -20.267 -2.432 1.00 0.00 O ATOM 743 CB LEU A 44 -11.695 -17.175 -1.002 1.00 0.00 C ATOM 744 CG LEU A 44 -13.018 -17.498 -1.681 1.00 0.00 C ATOM 745 CD1 LEU A 44 -13.785 -18.529 -0.852 1.00 0.00 C ATOM 746 CD2 LEU A 44 -13.850 -16.222 -1.815 1.00 0.00 C ATOM 0 H LEU A 44 -9.336 -17.015 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.340 -19.197 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.875 -16.745 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.149 -16.430 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.824 -17.908 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -14.732 -18.758 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.192 -19.440 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.978 -18.126 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.797 -16.455 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -14.042 -15.808 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.304 -15.493 -2.414 1.00 0.00 H new ATOM 758 N ILE A 45 -10.119 -18.431 -3.189 1.00 0.00 N ATOM 759 CA ILE A 45 -9.926 -19.032 -4.543 1.00 0.00 C ATOM 760 C ILE A 45 -9.177 -20.365 -4.446 1.00 0.00 C ATOM 761 O ILE A 45 -9.250 -21.191 -5.335 1.00 0.00 O ATOM 762 CB ILE A 45 -9.097 -18.006 -5.320 1.00 0.00 C ATOM 763 CG1 ILE A 45 -7.781 -17.748 -4.581 1.00 0.00 C ATOM 764 CG2 ILE A 45 -9.883 -16.699 -5.441 1.00 0.00 C ATOM 765 CD1 ILE A 45 -6.931 -16.755 -5.378 1.00 0.00 C ATOM 0 H ILE A 45 -9.784 -17.473 -3.087 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.877 -19.246 -5.031 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.883 -18.392 -6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.983 -17.353 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.237 -18.683 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.292 -15.969 -5.994 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.818 -16.884 -5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.099 -16.311 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.995 -16.572 -4.851 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.718 -17.168 -6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.475 -15.817 -5.488 1.00 0.00 H new ATOM 777 N CYS A 46 -8.454 -20.581 -3.383 1.00 0.00 N ATOM 778 CA CYS A 46 -7.701 -21.859 -3.244 1.00 0.00 C ATOM 779 C CYS A 46 -8.654 -23.056 -3.288 1.00 0.00 C ATOM 780 O CYS A 46 -8.312 -24.114 -3.775 1.00 0.00 O ATOM 781 CB CYS A 46 -7.017 -21.770 -1.888 1.00 0.00 C ATOM 782 SG CYS A 46 -6.065 -23.281 -1.593 1.00 0.00 S ATOM 0 H CYS A 46 -8.352 -19.929 -2.605 1.00 0.00 H new ATOM 0 HA CYS A 46 -6.986 -22.001 -4.055 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.360 -20.901 -1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -7.760 -21.636 -1.102 1.00 0.00 H new ATOM 0 HG CYS A 46 -6.401 -24.183 -2.467 1.00 0.00 H new ATOM 788 N ILE A 47 -9.844 -22.901 -2.780 1.00 0.00 N ATOM 789 CA ILE A 47 -10.808 -24.027 -2.794 1.00 0.00 C ATOM 790 C ILE A 47 -11.498 -24.104 -4.163 1.00 0.00 C ATOM 791 O ILE A 47 -12.033 -25.127 -4.542 1.00 0.00 O ATOM 792 CB ILE A 47 -11.816 -23.715 -1.677 1.00 0.00 C ATOM 793 CG1 ILE A 47 -11.156 -23.870 -0.296 1.00 0.00 C ATOM 794 CG2 ILE A 47 -13.001 -24.673 -1.770 1.00 0.00 C ATOM 795 CD1 ILE A 47 -10.089 -22.795 -0.082 1.00 0.00 C ATOM 0 H ILE A 47 -10.188 -22.040 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.327 -24.991 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.157 -22.687 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.913 -23.798 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.705 -24.859 -0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.714 -24.449 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.488 -24.557 -2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.649 -25.699 -1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.635 -22.923 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.322 -22.886 -0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.549 -21.809 -0.143 1.00 0.00 H new ATOM 807 N ILE A 48 -11.490 -23.030 -4.904 1.00 0.00 N ATOM 808 CA ILE A 48 -12.140 -23.041 -6.238 1.00 0.00 C ATOM 809 C ILE A 48 -11.136 -23.448 -7.319 1.00 0.00 C ATOM 810 O ILE A 48 -11.458 -24.180 -8.233 1.00 0.00 O ATOM 811 CB ILE A 48 -12.612 -21.609 -6.450 1.00 0.00 C ATOM 812 CG1 ILE A 48 -13.608 -21.233 -5.352 1.00 0.00 C ATOM 813 CG2 ILE A 48 -13.288 -21.489 -7.817 1.00 0.00 C ATOM 814 CD1 ILE A 48 -14.076 -19.792 -5.554 1.00 0.00 C ATOM 0 H ILE A 48 -11.059 -22.144 -4.639 1.00 0.00 H new ATOM 0 HA ILE A 48 -12.961 -23.755 -6.294 1.00 0.00 H new ATOM 0 HB ILE A 48 -11.756 -20.935 -6.410 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -14.462 -21.910 -5.375 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.142 -21.341 -4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.625 -20.463 -7.967 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -12.577 -21.755 -8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.144 -22.162 -7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.786 -19.527 -4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -13.218 -19.121 -5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -14.559 -19.699 -6.527 1.00 0.00 H new ATOM 826 N VAL A 49 -9.922 -22.976 -7.225 1.00 0.00 N ATOM 827 CA VAL A 49 -8.902 -23.336 -8.253 1.00 0.00 C ATOM 828 C VAL A 49 -8.622 -24.841 -8.221 1.00 0.00 C ATOM 829 O VAL A 49 -8.496 -25.478 -9.248 1.00 0.00 O ATOM 830 CB VAL A 49 -7.649 -22.543 -7.873 1.00 0.00 C ATOM 831 CG1 VAL A 49 -7.162 -22.979 -6.488 1.00 0.00 C ATOM 832 CG2 VAL A 49 -6.548 -22.810 -8.901 1.00 0.00 C ATOM 0 H VAL A 49 -9.593 -22.358 -6.483 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.237 -23.100 -9.263 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.887 -21.480 -7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.270 -22.412 -6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.944 -22.793 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.925 -24.043 -6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.655 -22.246 -8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.314 -23.875 -8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.889 -22.500 -9.889 1.00 0.00 H new ATOM 842 N MET A 50 -8.523 -25.418 -7.053 1.00 0.00 N ATOM 843 CA MET A 50 -8.252 -26.882 -6.970 1.00 0.00 C ATOM 844 C MET A 50 -9.352 -27.676 -7.680 1.00 0.00 C ATOM 845 O MET A 50 -9.181 -28.835 -8.003 1.00 0.00 O ATOM 846 CB MET A 50 -8.235 -27.199 -5.483 1.00 0.00 C ATOM 847 CG MET A 50 -7.053 -26.490 -4.821 1.00 0.00 C ATOM 848 SD MET A 50 -5.507 -27.149 -5.493 1.00 0.00 S ATOM 849 CE MET A 50 -5.765 -28.871 -4.995 1.00 0.00 C ATOM 0 H MET A 50 -8.618 -24.941 -6.156 1.00 0.00 H new ATOM 0 HA MET A 50 -7.313 -27.151 -7.454 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.169 -26.878 -5.022 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.158 -28.276 -5.331 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.112 -25.416 -4.999 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.085 -26.636 -3.741 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.803 -29.335 -4.776 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.393 -28.902 -4.105 1.00 0.00 H new ATOM 0 HE3 MET A 50 -6.254 -29.414 -5.804 1.00 0.00 H new ATOM 859 N LEU A 51 -10.481 -27.069 -7.925 1.00 0.00 N ATOM 860 CA LEU A 51 -11.584 -27.799 -8.612 1.00 0.00 C ATOM 861 C LEU A 51 -11.576 -27.487 -10.110 1.00 0.00 C ATOM 862 O LEU A 51 -11.752 -28.360 -10.936 1.00 0.00 O ATOM 863 CB LEU A 51 -12.867 -27.286 -7.958 1.00 0.00 C ATOM 864 CG LEU A 51 -12.833 -27.594 -6.459 1.00 0.00 C ATOM 865 CD1 LEU A 51 -14.123 -27.093 -5.805 1.00 0.00 C ATOM 866 CD2 LEU A 51 -12.711 -29.106 -6.254 1.00 0.00 C ATOM 0 H LEU A 51 -10.687 -26.101 -7.680 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.485 -28.880 -8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.965 -26.212 -8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.736 -27.757 -8.418 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.978 -27.094 -6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.099 -27.312 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.211 -26.017 -5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.979 -27.593 -6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.687 -29.328 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.567 -29.605 -6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.793 -29.463 -6.720 1.00 0.00 H new ATOM 878 N LEU A 52 -11.374 -26.248 -10.468 1.00 0.00 N ATOM 879 CA LEU A 52 -11.356 -25.883 -11.915 1.00 0.00 C ATOM 880 C LEU A 52 -9.916 -25.666 -12.389 1.00 0.00 C ATOM 881 O LEU A 52 -9.107 -25.234 -11.584 1.00 0.00 O ATOM 882 CB LEU A 52 -12.153 -24.582 -12.002 1.00 0.00 C ATOM 883 CG LEU A 52 -13.579 -24.824 -11.509 1.00 0.00 C ATOM 884 CD1 LEU A 52 -14.372 -23.517 -11.582 1.00 0.00 C ATOM 885 CD2 LEU A 52 -14.251 -25.881 -12.388 1.00 0.00 C ATOM 886 OXT LEU A 52 -9.648 -25.936 -13.548 1.00 0.00 O ATOM 0 H LEU A 52 -11.221 -25.473 -9.823 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.781 -26.665 -12.545 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.675 -23.809 -11.400 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.169 -24.221 -13.030 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.553 -25.175 -10.477 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -15.389 -23.689 -11.231 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.893 -22.765 -10.954 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -14.399 -23.165 -12.613 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -15.268 -26.054 -12.036 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -14.278 -25.532 -13.420 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.686 -26.812 -12.335 1.00 0.00 H new